4-[(3-methyloxiran-2-yl)amino]pentan-2-one

C8H15NO2 — CID 146340378

IUPAC4-[(3-methyloxiran-2-yl)amino]pentan-2-one
SMILESCC(=O)CC(C)NC1OC1C
InChIInChI=1S/C8H15NO2/c1-5(4-6(2)10)9-8-7(3)11-8/h5,7-9H,4H2,1-3H3
InChIKeyKRSWROVAEMHZAE-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds4

About 4-[(3-methyloxiran-2-yl)amino]pentan-2-one

4-[(3-methyloxiran-2-yl)amino]pentan-2-one (PubChem CID 146340378) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-[(3-methyloxiran-2-yl)amino]pentan-2-one.

Molecular Properties

Compound Name4-[(3-methyloxiran-2-yl)amino]pentan-2-one
PubChem CID146340378
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-[(3-methyloxiran-2-yl)amino]pentan-2-one
SMILESCC(=O)CC(C)NC1OC1C
InChIInChI=1S/C8H15NO2/c1-5(4-6(2)10)9-8-7(3)11-8/h5,7-9H,4H2,1-3H3
InChIKeyKRSWROVAEMHZAE-UHFFFAOYSA-N
XLogP0.69
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-4-(3-methyloxiran-2-yl)butan-2-one
CID 166879219
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)butanoic acid
CID 80721144
actinium;4-oxopentan-2-ylazanide
CID 20760022
3-oxo-N-[(2S)-4-oxopentan-2-yl]hexanamide
CID 141480970
1-(3-methyloxiran-2-yl)oxypropan-2-one
CID 123394854
2-methyl-4-oxo-N-propan-2-ylpentanamide
CID 88915731
methyl 3-(3-methyloxiran-2-yl)butanoate
CID 175497591
methanol;4-methylpentan-2-one;hydrate
CID 87964162
bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))
CID 158984879
4-methylpentan-2-one;propane
CID 22138072
3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid
CID 83032728
N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152322

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyloxiran-2-yl)amino]pentan-2-one?
The IUPAC name of 4-[(3-methyloxiran-2-yl)amino]pentan-2-one (CID 146340378) is 4-[(3-methyloxiran-2-yl)amino]pentan-2-one.
What is the SMILES notation for 4-[(3-methyloxiran-2-yl)amino]pentan-2-one?
The canonical SMILES for 4-[(3-methyloxiran-2-yl)amino]pentan-2-one is CC(=O)CC(C)NC1OC1C.
What is the InChIKey of 4-[(3-methyloxiran-2-yl)amino]pentan-2-one?
The InChIKey is KRSWROVAEMHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(4-6(2)10)9-8-7(3)11-8/h5,7-9H,4H2,1-3H3.
What are the key properties of 4-[(3-methyloxiran-2-yl)amino]pentan-2-one?
4-[(3-methyloxiran-2-yl)amino]pentan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyloxiran-2-yl)amino]pentan-2-one is sourced from PubChem (CID 146340378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).